UCSF

ZINC00428253

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 4.19 -9.62 1 4 0 59 262.334 3
Hi High (pH 8-9.5) 2.43 4.25 -39.64 0 4 -1 61 261.326 3
Lo Low (pH 4.5-6) 2.43 4.47 -40.62 2 4 1 60 263.342 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )